ChemSpider 2D Image | [{2-[(E)-2-{8-[Bis(carboxymethyl)amino]-6-fluoro-2-quinolinyl}vinyl]phenyl}(carboxymethyl)amino]acetic acid | C25H22FN3O8

[{2-[(E)-2-{8-[Bis(carboxymethyl)amino]-6-fluoro-2-quinolinyl}vinyl]phenyl}(carboxymethyl)amino]acetic acid

  • Molecular FormulaC25H22FN3O8
  • Average mass511.456 Da
  • Monoisotopic mass511.139099 Da
  • ChemSpider ID4943813

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[{2-[(E)-2-{8-[Bis(carboxymethyl)amino]-6-fluor-2-chinolinyl}vinyl]phenyl}(carboxymethyl)amino]essigsäure [German] [ACD/IUPAC Name]
[{2-[(E)-2-{8-[Bis(carboxymethyl)amino]-6-fluoro-2-quinolinyl}vinyl]phenyl}(carboxymethyl)amino]acetic acid [ACD/IUPAC Name]
Acide [{2-[(E)-2-{8-[bis(carboxyméthyl)amino]-6-fluoro-2-quinoléinyl}vinyl]phényl}(carboxyméthyl)amino]acétique [French] [ACD/IUPAC Name]
137550-81-3 [RN]
F-Quene 1
Glycine, N-(2-(2-(8-(bis(carboxymethyl)amino)-6-fluoro-2-quinolinyl)ethenyl)phenyl)-N-(carboxymethyl)-, (E)-
Glycine,N-[2-[(1E)-2-[8-[bis(carboxymethyl)amino]-6-fluoro-2-quinolinyl]ethenyl]phenyl]-N-(carboxymethyl)-(9CI)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 839.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.8±3.0 kJ/mol
Flash Point: 461.2±34.3 °C
Index of Refraction: 1.755
Molar Refractivity: 133.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.13
ACD/LogD (pH 5.5): -3.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 89.0±3.0 dyne/cm
Molar Volume: 324.7±3.0 cm3

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